fluorobenzene

C6H5F — CID 10008

IUPACfluorobenzene
SMILESFc1ccccc1
InChIInChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H
InChIKeyPYLWMHQQBFSUBP-UHFFFAOYSA-N
MW96.10 g/mol
LogP1.83
Rot. Bonds

About fluorobenzene

fluorobenzene (PubChem CID 10008) has the molecular formula C6H5F and a molecular weight of 96.10 g/mol. Its IUPAC name is fluorobenzene.

Molecular Properties

Compound Namefluorobenzene
PubChem CID10008
Molecular FormulaC6H5F
Molecular Weight96.10 g/mol
Exact Mass96.04
IUPAC Namefluorobenzene
SMILESFc1ccccc1
InChIInChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H
InChIKeyPYLWMHQQBFSUBP-UHFFFAOYSA-N
XLogP1.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.10
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze fluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzene
CID 241
Phenylmercuric Chloride
CID 7511
p-Fluorotoluene
CID 9603
m-Fluorotoluene
CID 9606
Iodobenzene
CID 11575
2-Fluorotoluene
CID 7241
Phenyl phosphorus dichloride
CID 12573
1,3-Difluorobenzene
CID 9741
Iodosylbenzene
CID 92125
Benzene-D6
CID 71601
Phenylphosphine
CID 12519
Pentafluorobenzene
CID 9696

Frequently Asked Questions

What is the IUPAC name of fluorobenzene?
The IUPAC name of fluorobenzene (CID 10008) is fluorobenzene.
What is the SMILES notation for fluorobenzene?
The canonical SMILES for fluorobenzene is Fc1ccccc1.
What is the InChIKey of fluorobenzene?
The InChIKey is PYLWMHQQBFSUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H.
What are the key properties of fluorobenzene?
fluorobenzene has a molecular weight of 96.10 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for fluorobenzene is sourced from PubChem (CID 10008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).